4-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine

Systemtic Name: 4-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine Openeye Name: 4-(5-chloro-3-methyl-benzothiophen-2-yl)-2-(p-tolylmethylsulfanyl)pyrimidine CAS Name: 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-[(4-methylphenyl)methylthio]pyrimidine IUPAC Name: 4-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-[(4-methylphenyl)methylsulfanyl]pyrimidine Traditional Name: 4-(5-chloro-3-methyl-benzothiophen-2-yl)-2-[(4-methylbenzyl)thio]pyrimidine Formula: C21H17ClN2S2 MolecularWeight: 396.95608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=C(C4=C(S3)C=CC(=C4)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=CC(=N2)C3=C(C4=C(S3)C=CC(=C4)Cl)C

InChI

InChI=1S/C21H17ClN2S2/c1-13-3-5-15(6-4-13)12-25-21-23-10-9-18(24-21)20-14(2)17-11-16(22)7-8-19(17)26-20/h3-11H,12H2,1-2H3